N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-23(2,3)20-14-21(26(25-20)16-7-5-4-6-8-16)24-22(27)15-30-17-9-10-18-19(13-17)29-12-11-28-18/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,27)